N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide

C16H13FN4O — CID 38953471

IUPACN-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-6-8-12(9-7-11)21-10-15(19-20-21)16(22)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyDXNFXNPEANRDTA-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 38953471) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID38953471
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-6-8-12(9-7-11)21-10-15(19-20-21)16(22)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyDXNFXNPEANRDTA-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 119041119
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
methyl 4-chloro-3-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 99587320
N-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536832
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide
CID 141406245

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 38953471) is N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3ccccc3F)nn2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is DXNFXNPEANRDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-6-8-12(9-7-11)21-10-15(19-20-21)16(22)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,22).
What are the key properties of N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 38953471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).